5737-0018 Screening compound: 9-{3-[bis(prop-2-en-1-yl)amino]-2-hydroxypropyl}-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one

5737-0018 Screening compound: 9-{3-[bis(prop-2-en-1-yl)amino]-2-hydroxypropyl}-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one
5737-0018 Screening compound: 9-{3-[bis(prop-2-en-1-yl)amino]-2-hydroxypropyl}-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5737-0018
9-{3-[bis(prop-2-en-1-yl)amino]-2-hydroxypropyl}-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5737-0018

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

9-{3-[bis(prop-2-en-1-yl)amino]-2-hydroxypropyl}-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one

IUPAC name

9-{3-[bis(prop-2-en-1-yl)amino]-2-hydroxypropyl}-2-methyl-1H2H3H4H9H-pyrido[34-b]indol-1-one

SMILES

CN(CCc1c2n(CC(CN(CC=C)CC=C)O)c3c1cccc3)C2=O

InChI

InChI=1S/C21H27N3O2/c1-4-11-23(12-5-2)14-16(25)15-24-19-9-7-6-8-17(19)18-10-13-22(3)21(26)20(18)24/h4-9,16,25H,1-2,10-15H2,3H3/t16-/m0/s1

InChI Key

XSHTYTJOSPFREE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03660615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.072

Water Solubility, LogSw

-2.37

Polar Surface Area

38.245

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

5737-0018 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5737-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5737-0018?
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What is the minimum amount of 5737-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5737-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5737-0018
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5737-0018 available by request